============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 29 1.000 -5.437 57.259 38.615 -99.200 -91.000 TYR 32 0.840 -1.566 59.685 31.166 -99.200 -91.000 TRP 33 1.040 -4.480 52.063 28.663 -99.200 -91.000 TRP6 33 1.020 -3.428 50.773 26.989 -99.200 -91.000 TRP 36 1.040 -0.985 47.901 41.501 -99.200 -91.000 TRP6 36 1.020 0.078 49.203 43.140 -99.200 -91.000 TRP 47 1.040 1.643 43.794 33.638 -99.200 -91.000 TRP6 47 1.020 0.091 42.122 33.084 -99.200 -91.000 TYR 58 0.840 -13.362 52.597 35.324 -99.200 -91.000 TYR 61 0.840 -6.877 43.399 29.980 -99.200 -91.000 TYR 62 0.840 -6.370 40.809 37.886 -99.200 -91.000 PHE 70 1.000 -1.302 39.762 44.012 -99.200 -91.000 TYR 82 0.840 -7.756 52.464 46.115 -99.200 -91.000 TYR 95 0.840 3.758 43.531 45.343 -99.200 -91.000 TYR 96 0.840 9.365 49.602 41.768 -99.200 -91.000 PHE 98 1.000 5.528 50.205 33.384 -99.200 -91.000 TYR 103 0.840 5.130 59.444 33.089 -99.200 -91.000 TRP 104 1.040 9.117 52.187 35.719 -99.200 -91.000 TRP6 104 1.020 8.894 49.913 36.286 -99.200 -91.000 TYR 123 0.840 23.385 49.674 68.910 -99.200 -91.000 TYR 140 0.840 16.846 46.516 59.542 -99.200 -91.000 PHE 141 1.000 11.760 39.701 59.003 -99.200 -91.000 TRP 149 1.040 24.532 59.664 56.901 -99.200 -91.000 TRP6 149 1.020 25.374 59.355 59.083 -99.200 -91.000 HIS 159 0.900 30.817 55.096 50.179 -99.200 -91.000 PHE 161 1.000 29.223 50.107 53.575 -99.200 -91.000 TYR 170 0.840 16.896 41.689 56.560 -99.200 -91.000 TRP 183 1.040 31.521 64.974 64.232 -99.200 -91.000 TRP6 183 1.020 33.072 63.596 65.351 -99.200 -91.000 HIS 194 0.900 11.644 48.407 60.297 -99.200 -91.000